Basic information
- CAS
41118-83-6- Standard SMILES
O=C(Nc1ccccc1)Nc1nncs1- InChIKey
GFFHLIHHQYTOFL-UHFFFAOYSA-N- Molecular formula
- C9H8N4OS
- Average molar mass
- 220.25 g/mol
- Monoisotopic mass
- 220.04188206
Names & identifiers
- Preferred name
- Urea, N-phenyl-N'-1,3,4-thiadiazol-2-yl-
- IUPAC
- 1-phenyl-3-(1,3,4-thiadiazol-2-yl)urea
- English name
- thidiazuron
- Molecular formula
- C9H8N4OS
- Molecular weight
- 220.25
Names & synonyms
41118-83-6Urea, N-phenyl-N'-1,3,4-thiadiazol-2-yl-N-Phenyl-N'-1,3,4-thiadiazol-2-ylureaNSC 285686DTXSID70194061RefChem:388161DTXCID801165521-phenyl-3-(1,3,4-thiadiazol-2-yl)ureaN-phenyl-N'-(1,3,4-thiadiazol-2-yl)urea1-Phenyl-3-[1,3,4]thiadiazol-2-yl-ureaNSC285686MLS000029794
Show more names
SCHEMBL7713468CHEMBL1449262HMS1674P09HMS2283F17STK747945AKOS000639058NSC-285686CL-92032
Database identifiers
- CAS
41118-83-6- PubChem CID
- 100304
- DTXSID
DTXSID70194061- ChEMBL
CHEMBL1449262- Nikkaji
- J1.639.230H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Density
- 1.51 · 1.510±0.06 g/cm3(Predicted)
- pka
- 5.79 · 5.79±0.50(Predicted)
- CAS DataBase Reference
- 41118 · 41118-83-6
Chemistry & industry
Suppliers5 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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